N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-2771 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | C(CC(NCCSCc1ccccc1)=O)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6483 |
| logD: | 2.6471 |
| logSw: | -3.4658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.609 |
| InChI Key: | GTAXXQNOGWRKIL-UHFFFAOYSA-N |